A1BDI

4-fluoro-1H-pyrazole

Created:	2024-10-15
Last modified:	2024-10-30

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1 entries where A1BDI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	9
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	5

2D diagram of A1BDI

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Chemical Component Summary
Name	4-fluoro-1H-pyrazole
Systematic Name (OpenEye OEToolkits)	4-fluoranyl-1~{H}-pyrazole
Formula	C₃ H₃ F N₂
Molecular Weight	86.068
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	Fc1c[NH]nc1
SMILES	CACTVS	3.385	Fc1c[nH]nc1
SMILES	OpenEye OEToolkits	3.1.0.0	c1c(cn[nH]1)F
Canonical SMILES	CACTVS	3.385	Fc1c[nH]nc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1c(cn[nH]1)F
InChI	InChI	1.06	InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)
InChIKey	InChI	1.06	RYXJXPHWRBWEEB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	141992

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.